5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole

C14H20FN3 — CID 154161447

IUPAC5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
SMILESCC1Cc2c(ccc(F)c2N2CCN(C)CC2)N1
InChIInChI=1S/C14H20FN3/c1-10-9-11-13(16-10)4-3-12(15)14(11)18-7-5-17(2)6-8-18/h3-4,10,16H,5-9H2,1-2H3
InChIKeyHESQRRAJLXYMKT-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.93
Rot. Bonds1

About 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole

5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole (PubChem CID 154161447) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
PubChem CID154161447
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
SMILESCC1Cc2c(ccc(F)c2N2CCN(C)CC2)N1
InChIInChI=1S/C14H20FN3/c1-10-9-11-13(16-10)4-3-12(15)14(11)18-7-5-17(2)6-8-18/h3-4,10,16H,5-9H2,1-2H3
InChIKeyHESQRRAJLXYMKT-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole (CID 154161447) is 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole is CC1Cc2c(ccc(F)c2N2CCN(C)CC2)N1.
What is the InChIKey of 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
The InChIKey is HESQRRAJLXYMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-10-9-11-13(16-10)4-3-12(15)14(11)18-7-5-17(2)6-8-18/h3-4,10,16H,5-9H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole?
5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole has a molecular weight of 249.33 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 154161447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).